N-(2-aminophenyl)-4-[3-cyano-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[(tetrahydropyran-4-ylmethylamino)methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-oxanylmethylamino)methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[(oxan-4-ylmethylamino)methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[(tetrahydropyran-4-ylmethylamino)methyl]-2-pyridyl]benzamide Formula: C26H27N5O2 MolecularWeight: 441.52488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNCC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

C1COCCC1CNCC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C26H27N5O2/c27-14-22-13-19(16-29-15-18-9-11-33-12-10-18)17-30-25(22)20-5-7-21(8-6-20)26(32)31-24-4-2-1-3-23(24)28/h1-8,13,17-18,29H,9-12,15-16,28H2,(H,31,32)